SCHEMBL5870038

SCHEMBL5870038

COC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 3/20 0.64
▸ KLK7 P49862 1/20 0.64
▸ PPARA Q07869 3/20 0.56
▸ CACNA1B Q00975 5/20 0.53
▸ SYK P43405 1/20 0.53
▸ CTSS P25774 4/20 0.53
▸ CTSK P43235 3/20 0.51
▸ PPARG P37231 2/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ KYNU Q16719 1/20 0.50
▸ ACE P12821 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX15 P16050 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14300985 1.00 KLK5 (0.64) KLK5KLK7PPARACACNA1BSYK
SCHEMBL14300984 1.00 KLK5 (0.64) KLK5KLK7PPARACACNA1BSYK
SCHEMBL12585497 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL10585294 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL4370045 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL9943561 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL9943562 0.94 KLK5 (0.65) KLK5KLK7PPARACACNA1BSYK
SCHEMBL344670 0.91 PPARA (0.63) KLK5KLK7PPARACACNA1BSYK
SCHEMBL344669 0.91 PPARA (0.63) KLK5KLK7PPARACACNA1BSYK
SCHEMBL84710 0.91 PPARA (0.63) KLK5KLK7PPARACACNA1BSYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 — — CN disclosed
WO-2023083291-A1 DERIVATIVE OF ASPARTIC ACID AND USE THEREOF IN TREATMENT OF METABOLIC DISEASES SUCH AS HEPATIC FIBROSIS AND NON-ALCOHOLIC HEPATITIS 深圳利沃生物医药科技有限公司 2023-05-19 — — WO disclosed
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 — — WO disclosed
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 — — US disclosed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 — — US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 KLK5 1085/4885KLK7 1681/4885PPARA 540/4885
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 KLK5 1176/4885KLK7 2157/4885PPARA 49/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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